Focused On-demand Library for Potassium channel subfamily K member 9

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9NPC2

UPID:

KCNK9_HUMAN

Alternative names:

Acid-sensitive potassium channel protein TASK-3; TWIK-related acid-sensitive K(+) channel 3; Two pore potassium channel KT3.2

Alternative UPACC:

Q9NPC2; Q2M290; Q540F2

Background:

Potassium channel subfamily K member 9, also known as TASK-3, is a pH-dependent, voltage-insensitive potassium channel. It plays a crucial role in maintaining the resting membrane potential and is involved in the physiological regulation of neuronal excitability. TASK-3 is alternatively named Acid-sensitive potassium channel protein TASK-3, TWIK-related acid-sensitive K(+) channel 3, and Two pore potassium channel KT3.2.

Therapeutic significance:

TASK-3's association with Birk-Barel syndrome, a condition marked by intellectual disability, hypotonia, hyperactivity, and facial dysmorphism, underscores its clinical importance. Understanding the role of TASK-3 could open doors to potential therapeutic strategies for managing this syndrome.